2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide

C5H8ClO3P — CID 172548156

IUPAC2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=CC1CCOP(=O)(Cl)O1
InChIInChI=1S/C5H8ClO3P/c1-2-5-3-4-8-10(6,7)9-5/h2,5H,1,3-4H2
InChIKeyMNCHAODNPBVUOU-UHFFFAOYSA-N
MW182.54 g/mol
LogP2.32
Rot. Bonds1

About 2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide

2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide (PubChem CID 172548156) has the molecular formula C5H8ClO3P and a molecular weight of 182.54 g/mol. Its IUPAC name is 2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide.

Molecular Properties

Compound Name2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide
PubChem CID172548156
Molecular FormulaC5H8ClO3P
Molecular Weight182.54 g/mol
Exact Mass181.99
IUPAC Name2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide
SMILESC=CC1CCOP(=O)(Cl)O1
InChIInChI=1S/C5H8ClO3P/c1-2-5-3-4-8-10(6,7)9-5/h2,5H,1,3-4H2
InChIKeyMNCHAODNPBVUOU-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.54
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The IUPAC name of 2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide (CID 172548156) is 2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide.
What is the SMILES notation for 2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The canonical SMILES for 2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide is C=CC1CCOP(=O)(Cl)O1.
What is the InChIKey of 2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide?
The InChIKey is MNCHAODNPBVUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8ClO3P/c1-2-5-3-4-8-10(6,7)9-5/h2,5H,1,3-4H2.
What are the key properties of 2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide?
2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide has a molecular weight of 182.54 g/mol, XLogP of 2.32, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-ethenyl-1,3,2λ5-dioxaphosphinane 2-oxide is sourced from PubChem (CID 172548156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).